SCHEMBL452425

SCHEMBL452425

CC(C)(O)C(C)(C)OB(O)c1ccnc(N2CCOCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.45
LRRK2 Q5S007 9/20 0.39
CYP2C19 P33261 1/20 0.39
ATR Q13535 2/20 0.38
ATRIP Q8WXE1 2/20 0.38
RAF1 P04049 3/20 0.38
BRAF P15056 3/20 0.38
PIK3CD O00329 1/20 0.37
MAPK13 O15264 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12815299 0.89 HRH4 (0.40) PIK3CALRRK2
SCHEMBL876181 0.87 HRH4 (0.44) LRRK2
SCHEMBL1854446 0.86 ADRB1 (0.46)
SCHEMBL219142 0.82 ALDH1A1 (0.43) CYP2C19
SCHEMBL1236482 0.78 ALDH1A1 (0.41) PIK3CAPIK3CD
SCHEMBL425688 0.78 KMO (0.43) PIK3CACYP2C19PIK3CD
SCHEMBL875670 0.78 PIK3CA (0.57) PIK3CALRRK2CYP2C19PIK3CDMAPK13
SCHEMBL29760133 0.78 PIK3CA (0.57) PIK3CALRRK2CYP2C19PIK3CDMAPK13
SCHEMBL114540 0.78 POLB (0.43) PIK3CAPIK3CD
SCHEMBL16735244 0.75 PIK3CD (0.36) PIK3CACYP2C19PIK3CD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117915903-A Compounds for the treatment of neurodegenerative, degenerative and metabolic disorders and uses thereof 佛罗里达大学研究基金会公司 2024-04-19 CN disclosed
US-20240124466-A1 COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE, DEGENERATIVE AND METABOLIC DISORDERS THE SCRIPPS RESEARCH INSTITUTE 2024-04-18 US disclosed
EP-4259118-A1 COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE, DEGENERATIVE AND METABOLIC DISORDERS The Scripps Research Institute (US) 2023-10-18 EP disclosed
CN-116802184-A Pyrazolothiazole carboxamides and their use as PDGFR inhibitors 埃科特莱茵药品有限公司 2023-09-22 CN disclosed
CN-109195965-B Inhibitors of WDR5 protein-protein binding 普罗佩纶治疗公司 2022-07-26 CN disclosed
WO-2022125989-A1 COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE, DEGENERATIVE AND METABOLIC DISORDERS SCRIPPS RESEARCH INSTITUTE, THE (US) 2022-06-16 WO disclosed
US-9012651-B2 TRPV3 modulators ABBVIE INC. (US) 2015-04-21 US disclosed
US-8889676-B2 3-ureidoisoquinolin-8-yl derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2014-11-18 US disclosed
US-20140038961-A1 3-UREIDOISOQUINOLIN-8-YL DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2014-02-06 US disclosed
EP-2691373-A1 3-UREIDOISOQUINOLIN-8-YL DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2014-02-05 EP disclosed
US-8569281-B2 Compounds and their administration for treating a neurodegenerative disease as well as a method for identifying a compound capable of inhibiting a kinase, such as LRRK MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2013-10-29 US disclosed
EP-2619201-A1 PYRAZOLOPYRIDINES AS INHIBITORS OF THE KINASE LRRK2 Medical Research Council Technology (GB) 2013-07-31 EP disclosed
US-20120295883-A1 COMPOUNDS GENENTECH, INC. (US) 2012-11-22 US disclosed
WO-2012131588-A1 3-UREIDOISOQUINOLIN-8-YL DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-10-04 WO disclosed
US-20120245124-A1 TRPV3 Modulators ABBOTT LABORATORIES (US) 2012-09-27 US disclosed
WO-2012129491-A1 TRPV3 MODULATORS ABBOTT LABORATORIES (US) 2012-09-27 WO disclosed
WO-2012038743-A1 PYRAZOLOPYRIDINES AS INHIBITORS OF THE KINASE LRRK2 MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2012-03-29 WO disclosed
WO-2011121317-A9 IMIDAZOTHIADIAZOLES FOR USE AS KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2012-03-15 WO disclosed
WO-2011121317-A1 IMIDAZO [2,1-B] [1,3,4] THIADIAZOLES AS PROTEIN OR LIPID KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2011-10-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120295883-A1 COMPOUNDS ABCC5, PRNP, PC PIK3CA 414/4885LRRK2 1512/4885CYP2C19 192/4885
US-20120245124-A1 TRPV3 Modulators TRPV3, TRPV2, TRPV1 PIK3CA 2565/4885LRRK2 1738/4885CYP2C19 2470/4885
US-20240124466-A1 COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE, DEGENERATIVE AND METABOLIC DISORDERS SNCA, NLN, HTT PIK3CA 3718/4885LRRK2 68/4885CYP2C19 2777/4885
US-20140038961-A1 3-UREIDOISOQUINOLIN-8-YL DERIVATIVES CBR3, CBR1, REL PIK3CA 3110/4885LRRK2 3056/4885CYP2C19 2954/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.